2-(4-((2-Amino-4-chloro-6-methylpyrimidin-5-yl)methyl)phenyl)acetonitrile

HCID 87444782
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Basic information

Standard SMILES
Cc1nc(N)nc(Cl)c1Cc1ccc(CC#N)cc1
InChIKey
QXFHQKFXICZXOC-UHFFFAOYSA-N
Molecular formula
C14H13ClN4
Average molar mass
272.73 g/mol
Monoisotopic mass
272.0828741

Names & identifiers

Preferred name
2-(4-((2-Amino-4-chloro-6-methylpyrimidin-5-yl)methyl)phenyl)acetonitrile
IUPAC
2-[4-[(2-amino-4-chloro-6-methylpyrimidin-5-yl)methyl]phenyl]acetonitrile

Names & synonyms

SCHEMBL2846939QXFHQKFXICZXOC-UHFFFAOYSA-N2-(4-((2-amino-4-chloro-6-methylpyrimidin-5-yl)methyl)phenyl)acetonitrile

Database identifiers

PubChem CID
87444782

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
75.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19

Related reactions

2 records
New reaction record

Linked notes

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